Geometry & MOs

Info

ID:

105541

PubChem CID:

50111239

Reduced:

F2O4N5C27H31 (1)

Stoich.:

A2B4C5D27E31 (1)

Weight, g/mol:

616.337319

ΔHf, kcal/mol:

-235.92

Dipole, Da:

8.78

IP(EA), eV:

 -9.03(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-4-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations